ethyl 6-chloranyl-2-(methylamino)-4-(4-methylphenyl)-1-oxidanylidene-isoquinoline-3-carboxylate

Systemtic Name: ethyl 6-chloranyl-2-(methylamino)-4-(4-methylphenyl)-1-oxidanylidene-isoquinoline-3-carboxylate Openeye Name: ethyl 6-chloro-2-(methylamino)-1-oxo-4-(p-tolyl)isoquinoline-3-carboxylate CAS Name: 6-chloro-2-(methylamino)-4-(4-methylphenyl)-1-oxo-3-isoquinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-chloro-2-(methylamino)-4-(4-methylphenyl)-1-oxoisoquinoline-3-carboxylate Traditional Name: 6-chloro-1-keto-2-(methylamino)-4-(p-tolyl)isoquinoline-3-carboxylic acid ethyl ester Formula: C20H19ClN2O3 MolecularWeight: 370.82946

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(C=CC(=C2)Cl)C(=O)N1NC)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(C=CC(=C2)Cl)C(=O)N1NC)C3=CC=C(C=C3)C

InChI

InChI=1S/C20H19ClN2O3/c1-4-26-20(25)18-17(13-7-5-12(2)6-8-13)16-11-14(21)9-10-15(16)19(24)23(18)22-3/h5-11,22H,4H2,1-3H3